1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one

C12H16N2O — CID 116618396

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
SMILESO=c1ncccn1CC1CC2CCC1C2
InChIInChI=1S/C12H16N2O/c15-12-13-4-1-5-14(12)8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2
InChIKeyBANZZYYURDAKQX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one

1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one (PubChem CID 116618396) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
PubChem CID116618396
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
SMILESO=c1ncccn1CC1CC2CCC1C2
InChIInChI=1S/C12H16N2O/c15-12-13-4-1-5-14(12)8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2
InChIKeyBANZZYYURDAKQX-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one (CID 116618396) is 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one is O=c1ncccn1CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one?
The InChIKey is BANZZYYURDAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-13-4-1-5-14(12)8-11-7-9-2-3-10(11)6-9/h1,4-5,9-11H,2-3,6-8H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one?
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one is sourced from PubChem (CID 116618396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).